2-(4-ethoxyphenyl)-6,7-dimethoxy-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-isoquinolin-1-one

Systemtic Name: 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-isoquinolin-1-one Openeye Name: 4-(4-benzylpiperazine-1-carbonyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-isoquinolin-1-one CAS Name: 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-isoquinolinone IUPAC Name: 4-(4-benzylpiperazine-1-carbonyl)-2-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolin-1-one Traditional Name: 4-(4-benzylpiperazine-1-carbonyl)-6,7-dimethoxy-2-p-phenetyl-isocarbostyril Formula: C31H33N3O5 MolecularWeight: 527.61082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H33N3O5/c1-4-39-24-12-10-23(11-13-24)34-21-27(25-18-28(37-2)29(38-3)19-26(25)31(34)36)30(35)33-16-14-32(15-17-33)20-22-8-6-5-7-9-22/h5-13,18-19,21H,4,14-17,20H2,1-3H3